Tulobuterol Impurity 7

CAT: 1299-RM-T120207-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T120207-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

133662-20-1

Synonyms

1- (2-chlorophenyl) -2-hydroxyethanone

Molecular Formula

C8H7ClO2

Molecular Weight

170.59

Target Alternative Name

Tulobuterol

Product Name Synonym

1- (2-chlorophenyl) -2-hydroxyethanone

Chemical Information

2'-Chloro-2-hydroxyacetophenone

CAS Number	133662-20-1
PubChem CID	14913220
IUPAC Name	1-(2-chlorophenyl)-2-hydroxyethanone
Molecular Formula	C8H7ClO2
Molecular Weight	170.59
XLogP	1.4
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	147

SMILES

C1=CC=C(C(=C1)C(=O)CO)Cl

InChI

InChI=1S/C8H7ClO2/c9-7-4-2-1-3-6(7)8(11)5-10/h1-4,10H,5H2

InChIKey

NJGXCDVXXRSHEB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 133662-20-1

CID: 14913220

Formula: C8H7ClO2

MW: 170.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.59
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	170.0134572
Monoisotopic Mass	170.0134572
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	147
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes